(Z)-1,2-diethoxyethene

C6H12O2 — CID 10942392

IUPAC(Z)-1,2-diethoxyethene
SMILESCCO/C=C\OCC
InChIInChI=1S/C6H12O2/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyHDUOBOAWDSZFTJ-WAYWQWQTSA-N
MW116.16 g/mol
LogP1.53
Rot. Bonds4

About (Z)-1,2-diethoxyethene

(Z)-1,2-diethoxyethene (PubChem CID 10942392) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-1,2-diethoxyethene.

Molecular Properties

Compound Name(Z)-1,2-diethoxyethene
PubChem CID10942392
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(Z)-1,2-diethoxyethene
SMILESCCO/C=C\OCC
InChIInChI=1S/C6H12O2/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyHDUOBOAWDSZFTJ-WAYWQWQTSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-diethoxyethene?
The IUPAC name of (Z)-1,2-diethoxyethene (CID 10942392) is (Z)-1,2-diethoxyethene.
What is the SMILES notation for (Z)-1,2-diethoxyethene?
The canonical SMILES for (Z)-1,2-diethoxyethene is CCO/C=C\OCC.
What is the InChIKey of (Z)-1,2-diethoxyethene?
The InChIKey is HDUOBOAWDSZFTJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-1,2-diethoxyethene?
(Z)-1,2-diethoxyethene has a molecular weight of 116.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-diethoxyethene is sourced from PubChem (CID 10942392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).